N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C19H18ClN3O — CID 5214850

IUPACN-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN3O/c1-14-13-18(23(22-14)17-5-3-2-4-6-17)19(24)21-12-11-15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyUNWANCHXNSSIJJ-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 5214850) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID5214850
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN3O/c1-14-13-18(23(22-14)17-5-3-2-4-6-17)19(24)21-12-11-15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyUNWANCHXNSSIJJ-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 5214850) is N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is UNWANCHXNSSIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-14-13-18(23(22-14)17-5-3-2-4-6-17)19(24)21-12-11-15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5214850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).